chempirical

2,3,4-Trifluorobenzylamine

C7H6F3NCAS 235088-67-2161.13 g/mol

Open in Covalent MOL file
H2NFFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H6F3N
Molar mass
161.13 g/mol
Exact mass
161.0452 Da
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
235088-67-2
SMILES
C1=CC(=C(C(=C1CN)F)F)F
InChIKey
YIWUAPISITUDBY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,3,4-Trifluorobenzylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3,4-Trifluorobenzyl alcohol144284-24-257 % similar 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-257 % similar 1,2,3,4-Tetrafluorobenzene551-62-255 % similar 2,3,4-Trifluorophenylacetonitrile243666-13-952 % similar 2,4-Difluorobenzylamine72235-52-050 % similar 2,5-Difluorobenzenemethanamine85118-06-550 % similar 2-Fluorobenzylamine89-99-650 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4,5-Trifluorobenzyl amine168644-93-7 2,4,6-Trifluorobenzylamine214759-21-4 2,3,6-Trifluorobenzenemethanamine230295-09-7 3,4,5-Trifluorobenzenemethanamine235088-69-4 (2,3,5-Trifluorophenyl)methanamine244022-72-8 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

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